2-(5-硝基-2-吡啶氧基)乙醇 | 143071-39-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 2-(5-硝基-2-吡啶氧基)乙醇
• 中文别名: 2-[(5-硝基-2-吡啶)氧基]-1-乙醇
• 英文名称: 2-((5-nitropyridin-2-yl)oxy)ethanol
• 英文别名: 2-(5-Nitropyridin-2-yloxy)ethanol；2-(5-nitropyridin-2-yl)oxyethanol
• CAS: 143071-39-0
• 化学式: C₇H₈N₂O₄
• mdl: MFCD00052642
• 分子量: 184.152
• InChiKey: KESQFSZFUCZCEI-UHFFFAOYSA-N

物化性质

• 熔点：
  112-114°C
• 沸点：
  355.7±27.0 °C(Predicted)
• 密度：
  1.389±0.06 g/cm3(Predicted)
• 溶解度：
  26.7 [ug/mL]
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，未有已知危险反应。请避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  88.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090
• 安全说明：
  S22,S24/25
• 储存条件：
  请将贮藏器密封，并存放在阴凉、干燥处。确保工作环境有良好的通风或排气设施。

SDS

Name:	2-[(5-Nitro-2-pyridyl)oxy]ethan-1-ol 97% Material Safety Data Sheet
Synonym:
CAS:	143071-39-0

Section 1 - Chemical Product MSDS Name:2-[(5-Nitro-2-pyridyl)oxy]ethan-1-ol 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
143071-39-0	2-[(5-Nitro-2-pyridyl)oxy]ethan-1-ol	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 143071-39-0: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 112 - 114 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H8N2O4
Molecular Weight: 184

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 143071-39-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-[(5-Nitro-2-pyridyl)oxy]ethan-1-ol - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 143071-39-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 143071-39-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 143071-39-0 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(5-硝基-2-吡啶氧基)乙醇 在 吡啶 、 4-二甲氨基吡啶 、 palladium on activated charcoal 、 氢气 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 11.5h， 生成
  参考文献：
  名称：

  [EN] TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS
  [FR] COMPOSÉS TRICYCLIQUES DE QUINOLÉINE ET D'AZAQUINOLINE À SUBSTITUTION HÉTÉROARYLE INHIBITEURS DE PAR4

  摘要：

  揭示了化合物的结构式（I）至（VIII）：（I）（II）（III）（IV）（V）（VI）（VII）（VIII）或其立体异构体、互变异构体、药学上可接受的盐、溶剂合物或前药，其中R3是一个三环杂芳基，其上取代有R3a和零至2个R3b；R1、R2、R3a、R3b、R4和n在此有定义。还揭示了将这些化合物用作PAR4抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物在抑制或预防血小板聚集方面很有用，并且可用于治疗血栓栓塞性疾病或血栓栓塞性疾病的初级预防。

  公开号：

  WO2018013776A1
• 作为产物：
  描述：

  在 全氟丁基磺酰氟 、 TPGS-750-M 作用下， 以 丙醇 、 水 为溶剂， 反应 5.0h， 以86%的产率得到2-(5-硝基-2-吡啶氧基)乙醇
  参考文献：
  名称：

  在环境负责的水性条件下对二苯基甲基甲硅烷基（DPMS）羟基保护基的选择性脱保护

  摘要：

  描述了两种新的选择性脱保护二苯基甲基甲硅烷基（DPMS）醚的方法。在温和的胶束水溶液条件下，可以使用催化量的全氟-1-丁烷磺酰氟（SuFEx试剂）或在乙醇水溶液中使用化学计量的18-冠-6醚来实现掩盖。

  DOI：

  10.1002/cctc.201901232

文献信息

• [EN] BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS<br/>[FR] COMPOSÉS BICYCLIQUES SUBSTITUÉS PAR HÉTÉROARYLE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018013774A1

  公开（公告）日：2018-01-18

  Disclosed are compounds of Formula (I) to (VIII): (I) (II) (III) (IV) (V) (VI) (VII) (VIII); or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate or prodrug thereof, wherein R3 is a bicyclic heteroaryl group substituted with zero to 3 R3a; and R1, R2, R3a, R4, and n are defined herein. Also disclosed are methods of using such compounds as PAR4 inhibitors, and pharmaceutical compositions comprising such compounds. These compounds are useful in inhibiting or preventing platelet aggregation, and are useful for the treatment of a thromboembolic disorder or the primary prophylaxis of a thromboembolic disorder.

  公开了公式(I)至(VIII)的化合物：(I) (II) (III) (IV) (V) (VI) (VII) (VIII)；或其立体异构体、互变异构体、药物可接受的盐、溶剂化物或前药，其中R3是与0至3个R3a取代的双环杂芳基团；且R1、R2、R3a、R4和n在此定义。还公开了使用这些化合物作为PAR4抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物用于抑制或预防血小板聚集，用于治疗血栓栓塞障碍或作为血栓栓塞障碍的初级预防。
• [EN] JAK1 SELECTIVE KINASE INHIBITOR<br/>[FR] INHIBITEUR SÉLECTIF DE KINASE JAK1
  申请人：DIZAL JIANGSU PHARMACEUTICAL CO LTD

  公开号：WO2020211839A1

  公开（公告）日：2020-10-22

  Disclosed herein are compounds of Formula (I), and pharmaceutically acceptable salts thereof, that are useful as JAK kinase inhibitors. Also disclosed are pharmaceutical compositions comprising one or more compounds of Formula (I), and methods of using such compounds or compositions to treat respiratory conditions (e.g., asthma or COPD).

  本文披露了式（I）的化合物及其药学上可接受的盐，这些化合物可用作JAK激酶抑制剂。还披露了包含一种或多种式（I）化合物的药物组合物，以及使用这些化合物或组合物治疗呼吸道疾病（例如哮喘或慢性阻塞性肺病）的方法。
• 2,4-Pyrimidinediamine Compounds and Their Uses
  申请人：Singh Rajinder

  公开号：US20150266828A1

  公开（公告）日：2015-09-24

  The present invention provides 2,4-pyrimidinediamine compounds that inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators, intermediates and methods of synthesizing the compounds and methods of using the compounds in a variety of contexts, including in the treatment and prevention of diseases characterized by, caused by or associated with the release of chemical mediators via degranulation and other processes effected by activation of the IgE and/or IgG receptor signaling cascades.

  本发明提供了抑制IgE和/或IgG受体信号级联反应的2,4-嘧啶二胺化合物，该级联反应导致化学介质的释放，以及合成这些化合物的中介体和方法，以及在多种情况下使用这些化合物的方法，包括在治疗和预防由脱粒和其他由IgE和/或IgG受体信号级联反应激活引起的化学介质释放所表征、引起或相关的疾病。
• Design, synthesis, and biological evaluation of some novel 4-aminoquinazolines as Pan-PI3K inhibitors
  作者：Huai-Wei Ding、Shu Wang、Xiao-Chun Qin、Jian Wang、Hong-Rui Song、Qing-Chun Zhao、Shao-Jiang Song

  DOI：10.1016/j.bmc.2019.04.024

  日期：2019.7

  A series of 4-aminoquinazolines derivatives containing hydrophilic group were designed and identified as potent Pan-PI3K inhibitors in this study. The results of antiproliferative assays in vitro showed that this series of compounds had strong inhibition of tumor growth, especially compound 7b for MCF-7 cells but weak inhibition to normal cells. PI3K kinase assay showed that 7b had high activity for

  设计了一系列含有亲水基团的4-氨基喹唑啉衍生物，并将其鉴定为有效的Pan-PI3K抑制剂。体外抗增殖试验的结果表明，该系列化合物对肿瘤的生长具有较强的抑制作用，尤其是对MCF-7细胞的化合物7b具有抑制作用，而对正常细胞的抑制作用较弱。PI3K激酶测定法显示7b对三种PI3K亚型具有很高的活性，其picomole的IC50值为。蛋白质印迹分析表明7b可以剂量依赖性方式降低磷酸化Akt（S473）。进一步的实验表明7b可以诱导MCF-7细胞凋亡。在7b与PI3K激酶的对接中发现了四个关键的氢键相互作用。
• THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS
  申请人：Zask Arie

  公开号：US20090098086A1

  公开（公告）日：2009-04-16

  The invention relates to thienopyrimidine and pyrazolopyrimidine compounds of the Formulas (Ia) and (IIa), or a pharmaceutically acceptable salt thereof, wherein the constituent variables are as defined herein compositions comprising the compounds, and methods for making and using the compounds.

  该发明涉及Formula (Ia)和Formula (IIa)的噻吡嘧啶和吡唑嘧啶化合物，或其药用可接受的盐，其中组成变量如本文所定义的那样，包括该化合物的组合物，以及制备和使用该化合物的方法。